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	hartrees
Energy at 0K	-48.758268
Energy at 298.15K	-48.757246
HF Energy	-48.758268
Nuclear repulsion energy	58.289923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	2121	2067	0.00	40.96	0.33	0.50
2	Σ_g	742	723	0.00	42.82	0.23	0.38
3	Σ_u	2334	2274	2694.03	0.00	0.00	0.00
4	Σ_u	1519	1481	183.76	0.00	0.00	0.00
5	Π_g	532	518	0.00	0.09	0.75	0.86
5	Π_g	532	518	0.00	0.09	0.75	0.86
6	Π_u	602	587	67.25	0.00	0.00	0.00
6	Π_u	602	587	67.25	0.00	0.00	0.00
7	Π_u	179	174	1.17	0.00	0.00	0.00
7	Π_u	179	174	1.17	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.288
C3	0.000	0.000	-1.288
O4	0.000	0.000	2.491
O5	0.000	0.000	-2.491

	C1	C2	C3	O4	O5
C1		1.2878	1.2878	2.4910	2.4910
C2	1.2878		2.5757	1.2032	3.7789
C3	1.2878	2.5757		3.7789	1.2032
O4	2.4910	1.2032	3.7789		4.9820
O5	2.4910	3.7789	1.2032	4.9820

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O4	180.000		C1	C3	O5	180.000
C2	C1	C3	180.000

All results from a given calculation for C₃O₂ (Carbon suboxide)

using model chemistry: B3LYP/CEP-121G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	1.623
2	C	-0.862
3	C	-0.862
4	O	0.050
5	O	0.050

<r²>	106.193
(<r²>)^1/2	10.305

All results from a given calculation for C3O2 (Carbon suboxide)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₃O₂ (Carbon suboxide)